2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide

C17H20N4O — CID 140866616

IUPAC2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
SMILESNC(=O)c1cc2cccc(N3CCNCC3)c2nc1C1CC1
InChIInChI=1S/C17H20N4O/c18-17(22)13-10-12-2-1-3-14(21-8-6-19-7-9-21)16(12)20-15(13)11-4-5-11/h1-3,10-11,19H,4-9H2,(H2,18,22)
InChIKeyHABXDAFIRVJPAX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.62
Rot. Bonds3

About 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide

2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide (PubChem CID 140866616) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
PubChem CID140866616
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
SMILESNC(=O)c1cc2cccc(N3CCNCC3)c2nc1C1CC1
InChIInChI=1S/C17H20N4O/c18-17(22)13-10-12-2-1-3-14(21-8-6-19-7-9-21)16(12)20-15(13)11-4-5-11/h1-3,10-11,19H,4-9H2,(H2,18,22)
InChIKeyHABXDAFIRVJPAX-UHFFFAOYSA-N
XLogP1.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
2-oxo-8-piperazin-1-ylchromene-3-carboxamide
CID 87768437
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
5-chloro-2-piperazin-1-ylbenzamide
CID 62494814
2-piperidin-4-ylquinoline-8-carboxamide
CID 175300888
2-piperazin-1-ylbenzoyl bromide
CID 141087423
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid
CID 18783850
naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
CID 46239553
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
CID 145405985

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide?
The IUPAC name of 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide (CID 140866616) is 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide is NC(=O)c1cc2cccc(N3CCNCC3)c2nc1C1CC1.
What is the InChIKey of 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide?
The InChIKey is HABXDAFIRVJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-17(22)13-10-12-2-1-3-14(21-8-6-19-7-9-21)16(12)20-15(13)11-4-5-11/h1-3,10-11,19H,4-9H2,(H2,18,22).
What are the key properties of 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide?
2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 140866616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).